SCHEMBL4869700

SCHEMBL4869700

CN1CCCN(c2ccc3c(=O)[nH]cnc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.67
PIK3CA P42336 1/20 0.67
PIK3CB P42338 1/20 0.67
IP6K1 Q92551 13/20 0.64
IP6K3 Q96PC2 4/20 0.64
CHEK1 O14757 1/20 0.50
PARP1 P09874 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KA3 P51812 1/20 0.50
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
IP6K2 Q9UHH9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4876138 0.96 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4875832 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4873411 0.82 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4878824 0.81 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL30169542 0.81 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL30823308 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL2426171 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL8976326 0.78 IP6K1 (1.00) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4873386 0.78 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL8871369 0.77 IP6K1 (1.00) PIK3CDPIK3CAPIK3CBIP6K1IP6K3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B PIK3CD 2103/4885PIK3CA 1503/4885PIK3CB 2116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.